Cas no 17332-09-1 (3'-Guanylic acid,guanylyl-(3'®5')-(9CI))
17332-09-1 structure
Product Name:3'-Guanylic acid,guanylyl-(3'®5')-(9CI)
CAS No:17332-09-1
MF:C20H26N10O15P2
MW:708.425964832306
CID:157831
PubChem ID:135616715
Update Time:2025-04-19
3'-Guanylic acid,guanylyl-(3'®5')-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[2-[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-phosphonooxyethyl]-4-hydroxyoxolan-3-yl] dihydrogen phosphate
- GpGp
- [1-[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]ethyl] dihydrogen phosphate
- 5')-(9CI)
- Diguanylic acid
- Guanylyl-(3'-5')-3'-guanylic acid
- 17332-09-1
- CID 167640
- [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[2-[(2S,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-phosphonooxyethyl]-4-hydroxyoxolan-3-yl] dihydrogen phosphate
- 3'-Guanylic acid,guanylyl-(3'®5')-(9CI)
-
- Inchi： 1S/C20H26N10O15P2/c21-19-25-13-6(15(34)27-19)23-2-29(13)17-9(32)8(31)11(43-17)5(44-46(36,37)38)1-4-12(45-47(39,40)41)10(33)18(42-4)30-3-24-7-14(30)26-20(22)28-16(7)35/h2-5,8-12,17-18,31-33H,1H2,(H2,36,37,38)(H2,39,40,41)(H3,21,25,27,34)(H3,22,26,28,35)/t4-,5?,8+,9-,10-,11-,12-,17-,18-/m1/s1
- InChI Key： GWPHQANIBIHXEA-KLZCPPQDSA-N
- SMILES： P(=O)(O)(O)OC(C[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)OP(=O)(O)O)[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(NC(N)=NC2=3)=O)O1)O)O
Computed Properties
- Exact Mass: 708.10568
- Monoisotopic Mass: 708.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 17
- Heavy Atom Count: 47
- Rotatable Bond Count: 9
- Complexity: 1430
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -7.9
- Topological Polar Surface Area: 383?2
Experimental Properties
- Density: 2.69
- Boiling Point: 1354.8°C at 760 mmHg
- Flash Point: 773.2°C
- Refractive Index: 2.08
- PSA: 383.27
- LogP: -3.67460
3'-Guanylic acid,guanylyl-(3'®5')-(9CI) Related Literature
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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